N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine

C20H26FN5O — CID 171540166

IUPACN-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H26FN5O/c1-24(19-13-20(23-15-22-19)25-8-10-27-11-9-25)18-6-3-7-26(14-18)17-5-2-4-16(21)12-17/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3/t18-/m1/s1
InChIKeyOPCUSIMGUWHWQQ-GOSISDBHSA-N
MW371.46 g/mol
LogP2.56
Rot. Bonds4

About N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine

N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 171540166) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID171540166
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H26FN5O/c1-24(19-13-20(23-15-22-19)25-8-10-27-11-9-25)18-6-3-7-26(14-18)17-5-2-4-16(21)12-17/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3/t18-/m1/s1
InChIKeyOPCUSIMGUWHWQQ-GOSISDBHSA-N
XLogP2.56
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N-(3-fluorophenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921801
4-[4-Methyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 2912300
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-phenylpyrimidine-2,4-diamine
CID 25014762
N4-(2-morpholinoethyl)-N6-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
CID 44194780
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(4-morpholinophenyl)piperazine-1-carboxamide
CID 44433461
4-[4-[(E)-2-[6-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenyl]morpholine
CID 71459257
5-Fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 1085354
5-Fluoro-2,4-bis(4-phenylpiperazin-1-yl)pyrimidine
CID 1276991
4-(2,6-Dipyridin-2-ylpyrimidin-4-yl)morpholine
CID 4460916
1-(4-Fluorophenyl)-3-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)urea
CID 27478210
4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
CID 91800576

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine (CID 171540166) is N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine is CN(c1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OPCUSIMGUWHWQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-24(19-13-20(23-15-22-19)25-8-10-27-11-9-25)18-6-3-7-26(14-18)17-5-2-4-16(21)12-17/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 371.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 171540166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).